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2-methylbutyl acetate

PropertiesImage
MNX_IDMNXM35277 Image of MNXM35277
referencechebi:50585
formulaC7H14O2
global charge0
mol weight130.187
InChIKeyXHIUFYZDQBSEMF-UHFFFAOYSA-N
InChIInChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
SMILESCCC(C)COC(C)=O
MNX internals
InChI (mnx)InChI=1/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3/t6? Image of MNXM35277
SMILES (mnx)[CH3:1][CH2:4][CH:6]([CH3:2])[CH2:5][O:9][C:7]([CH3:3])=[O:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50585
chebi:50585
XHIUFYZDQBSEMF-UHFFFAOYSA-N 		2-methylbutyl acetate
2-methyl-1-butanol acetate
2-methyl-1-butyl acetate
2-methylbutanol acetate
acetic acid 2-methylbutyl ester

bigg.metabolite:2mbac
biggM:2mbac 		2 methylbutyl acetate
hmdb:HMDB0034166
XHIUFYZDQBSEMF-UHFFFAOYSA-N 		2-Methylbutyl acetate
1-Butanol, 2-methyl-, 1-acetate
1-Butanol, 2-methyl-, acetate
2-Methybutyl acetate
2-Methyl-1-butanol acetate
2-Methyl-1-butanol acetic acid
2-Methyl-1-butyl acetate
2-Methyl-1-butyl acetic acid
2-Methylbutanol acetate
2-Methylbutanol acetic acid
2-Methylbutyl acetic acid
2-methylbutyl acetate
Acetate 2-methylbutyl ester
Acetic acid 2-methylbutyl ester
Active amyl acetate
FEMA 3644
beta-methylbutyl acetate

seed.compound:cpd33123
seedM:cpd33123
XHIUFYZDQBSEMF-UHFFFAOYSA-N 		2-methyl-1-butanol acetate
2-methyl-1-butyl acetate

metacyc.compound:CPD-19624
metacycM:CPD-19624
XHIUFYZDQBSEMF-UHFFFAOYSA-N 		2-methylbutyl acetate
2-methyl-1-butanol acetate
2-methyl-1-butyl acetate

seed.compound:cpd16872
seedM:cpd16872 		2-methylbutyl acetate
2mbac

hmdb:HMDB34166
biggM:M_2mbac
seedM:M_cpd16872
seedM:M_cpd33123 		secondary/obsolete/fantasy identifier